Geometry & MOs

Info

ID:	283014
PubChem CID:	103953063
Reduced:	ClNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-101.19
Dipole, Da:	4.39
IP(EA), eV:	-8.73(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1-ethylpiperidin-4-yl)amino]methyl]benzene-1,2,3-triol

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)NCC2=C(C(=C(C=C2)O)O)O

DOS

IR

Vibrations